SCHEMBL16702115

SCHEMBL16702115

CN1CCC(Oc2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 3/20 0.53
GSK3B P49841 3/20 0.53
DYRK1A Q13627 3/20 0.53
CLK2 P49760 1/20 0.53
CLK3 P49761 1/20 0.53
ADORA3 P0DMS8 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
HTR1F P30939 1/20 0.48
BTK Q06187 2/20 0.47
SCN9A Q15858 1/20 0.47
SLC2A1 P11166 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16702039 0.93 GSK3B (0.49) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL16701381 0.92 DYRK1A (0.47) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL16701555 0.91 NPC1 (0.51) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL16701543 0.91 ADORA3 (0.65) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL16701480 0.91 SMN1; SMN2 (0.55) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL16701865 0.91 ADORA3 (0.58) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL16712912 0.90 UTS2R (0.51) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL23969988 0.90 ADORA3 (0.52) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL16702061 0.90 SMN1; SMN2 (0.54) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL16701405 0.90 RAB9A (0.62) WNT1GSK3BDYRK1ACLK2CLK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
EP-3066072-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS The University of Kansas (US) 2016-09-14 EP disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors HSP90AB1, HSP90AA1, HSP90AB2P WNT1 2862/4885GSK3B 1960/4885DYRK1A 2385/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P WNT1 2862/4885GSK3B 1960/4885DYRK1A 2385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.